1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine

C24H16Cl2N8S2 — CID 91396132

IUPAC1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
SMILESCc1csc(N(c2nccc3ccc(Cl)nc23)N(c2csc(C)n2)c2nccc3ccc(Cl)nc23)n1
InChIInChI=1S/C24H16Cl2N8S2/c1-13-11-36-24(29-13)34(23-21-16(8-10-28-23)4-6-18(26)32-21)33(19-12-35-14(2)30-19)22-20-15(7-9-27-22)3-5-17(25)31-20/h3-12H,1-2H3
InChIKeyKIYPOIUNLNACRK-UHFFFAOYSA-N
MW551.49 g/mol
LogP7.30
Rot. Bonds5

About 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine

1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine (PubChem CID 91396132) has the molecular formula C24H16Cl2N8S2 and a molecular weight of 551.49 g/mol. Its IUPAC name is 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine.

Molecular Properties

Compound Name1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
PubChem CID91396132
Molecular FormulaC24H16Cl2N8S2
Molecular Weight551.49 g/mol
Exact Mass550.03
IUPAC Name1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
SMILESCc1csc(N(c2nccc3ccc(Cl)nc23)N(c2csc(C)n2)c2nccc3ccc(Cl)nc23)n1
InChIInChI=1S/C24H16Cl2N8S2/c1-13-11-36-24(29-13)34(23-21-16(8-10-28-23)4-6-18(26)32-21)33(19-12-35-14(2)30-19)22-20-15(7-9-27-22)3-5-17(25)31-20/h3-12H,1-2H3
InChIKeyKIYPOIUNLNACRK-UHFFFAOYSA-N
XLogP7.30
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.49
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9-[[1-[(4-Chlorophenyl)methyl]triazol-4-yl]methyl]-2-thia-4,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 172469899
1-(4-Chloro-1,3-thiazol-2-yl)-2-[5-(5-fluoro-3-pyridinyl)-2-methyl-1,7-naphthyridin-8-yl]-1-(2-methyl-5-pyrimidin-5-yl-1,7-naphthyridin-8-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
CID 91083879
5-[3-Chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole
CID 166749918
5-[3-Chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole
CID 166749937
US12492199, Example 70
CID 146350601
US20240109900, Example 497
CID 170430603
[5-(6-Chloro-pyridin-3-yl)-2-methyl-[1,7]naphthyridin-8-yl]-(2-methyl-thiazol-4-yl)-amine
CID 16116926
[5-(6-Chloro-pyridin-3-yl)-2-methyl-[1,7]naphthyridin-8-yl]-(4-methyl-thiazol-2-yl)-amine
CID 16116927
(2-Chloro-[1,7]naphthyridin-8-yl)-(4-methyl-thiazol-2-yl)-amine
CID 16118690
(2-Chloro-[1,7]naphthyridin-8-yl)-(2-methyl-thiazol-4-yl)-amine
CID 16118691
[7-(2-Chloro-pyridin-4-yl)-2-methyl-thiazolo[4,5-c]pyridin-4-yl]-(2-methyl-thiazol-4-yl)-amine
CID 16661051
4-[[7-(7-chloro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride
CID 67142627

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The IUPAC name of 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine (CID 91396132) is 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine.
What is the SMILES notation for 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The canonical SMILES for 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine is Cc1csc(N(c2nccc3ccc(Cl)nc23)N(c2csc(C)n2)c2nccc3ccc(Cl)nc23)n1.
What is the InChIKey of 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
The InChIKey is KIYPOIUNLNACRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N8S2/c1-13-11-36-24(29-13)34(23-21-16(8-10-28-23)4-6-18(26)32-21)33(19-12-35-14(2)30-19)22-20-15(7-9-27-22)3-5-17(25)31-20/h3-12H,1-2H3.
What are the key properties of 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine?
1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine has a molecular weight of 551.49 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-chloro-1,7-naphthyridin-8-yl)-1-(2-methyl-1,3-thiazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine is sourced from PubChem (CID 91396132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).